The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
Orbital-dependent density functionals: Theory and applications
Abstract
This review provides a perspective on the use of orbital-dependent functionals, which is currently considered one of the most promising avenues in modern density-functional theory. The focus here is on four major themes: the motivation for orbital-dependent functionals in terms of limitations of semilocal functionals; the optimized effective potential as a rigorous approach to incorporating orbital-dependent functionals within the Kohn-Sham framework; the rationale behind and advantages and limitations of four popular classes of orbital-dependent functionals; and the use of orbital-dependent functionals for predicting excited-state properties. For each of these issues, both formal and practical aspects are assessed.
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
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Self-Consistent Equations Including Exchange and Correlation Effects
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Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
A new mixing of Hartree–Fock and local density-functional theories
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464304 · Cited by 16,515
Density-Functional Theory for Time-Dependent Systems
Runge, E., & Gross, E. K. U. (1984) · Physical Review Letters · doi:10.1103/physrevlett.52.997 · Cited by 8,914 · cited 11×
“The first derivation of the timedependent Kohn-Sham equations Runge and Gross, 1984 employed the stationary action principle to derive the time-dependent exchange correlation potential as a functional derivative / n r , t of an exchangecorrelation action functional as one would naturally define it.”
BackgroundMethodInfluentialElectronic excitations: density-functional versus many-body Green’s-function approaches
Onida, G., Reining, L., & Rubio, A. (2002) · Reviews of Modern Physics · doi:10.1103/revmodphys.74.601 · Cited by 4,155
Electronic Structure: Basic Theory and Practical Methods
Martin, R. M. (2004) · doi:10.1017/cbo9780511805769 · Cited by 1,752
Cited by
Lany, S., & Zunger, A. (2008) · Physical Review B · doi:10.1103/physrevb.78.235104 · Cited by 1,257
Merits and limits of the modified Becke-Johnson exchange potential
Koller, D., Tran, F., & Blaha, P. (2011) · Physical Review B · doi:10.1103/physrevb.83.195134 · Cited by 1,079
Stein, T., Kronik, L., & Baer, R. (2009) · Journal of the American Chemical Society · doi:10.1021/ja8087482 · Cited by 870
Self-citationTan, J. C., & Cheetham, A. K. (2011) · Chemical Society Reviews · doi:10.1039/c0cs00163e · Cited by 762
Peverati, R., & Truhlar, D. G. (2014) · Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences · doi:10.1098/rsta.2012.0476 · Cited by 734
Metadata
- Authors
- Kümmel, S., & Kronik, L.
- Venue
- Reviews of Modern Physics
- Publisher
- American Physical Society (APS)
- Published
- 2008-01-02
- Volume
- 80
- Issue
- 1
- Pages
- 3-60
- ISSN
- 0034-6861 (ISSN-L)
- 1539-0756
- OpenAlex
- W2045162020
- Cited by
- 1,223
- References
- 9
- FWCI
- 49.50
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
